3-hydroxy-glabrol; MS2; QIT; M+H; 35%

2009.11.18 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM019134
RECORD_TITLE 3-hydroxy-glabrol; MS2; QIT; M+H; 35%
DATE 2009.11.18
PUBLICATION Simons R, Vincken JP, Bakx EJ, Verbruggen MA, Gruppen H. Rapid Commun Mass Spectrom. 2009 Oct;23(19):3083-93.
PUBLICATION PUBMED 19711301 LinkIcon
AUTHORS F. Matsuda and M. Suzuki.
COMMENTS Obtained from extract mixture
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME 3-hydroxy-glabrol
CH$ NAME 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2R,3R)-
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Isoflavane
CH$ LINK CAS 74148-41-7
CH$ FORMULA C25H28O5
CH$ EXACT_MASS 408.19
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3CN/CH3COOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL LTQ-XL
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 35%
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE positive
SP$ SAMPLE Glycyrrhiza glabra
MS$ FOCUSED_ION ION_TYPE M+H
MS$ FOCUSED_ION PRECURSOR_M/Z 409
PK$ NUM_PEAK 5
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
353
0
100
335
0
29
229
0
6
205
0
21
177
0
6

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